SCHEMBL8128971

SCHEMBL8128971

N=C(O[C@@]1(Cc2ccccc2)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 10/20 0.33
SLC5A1 P13866 7/20 0.33
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8685792 1.00 SLC5A2 (0.33) SLC5A2SLC5A1CA2CA9
SCHEMBL28214428 0.84 SLC5A1 (0.30) SLC5A2SLC5A1
SCHEMBL4574200 0.77 SLC5A2 (0.37) SLC5A2SLC5A1
SCHEMBL28915008 0.73 TSHR (0.36) SLC5A2CA2CA9
SCHEMBL6252013 0.72 SLC5A2 (0.37) SLC5A2SLC5A1
SCHEMBL3956073 0.71 SLC5A2 (0.40) SLC5A2SLC5A1
SCHEMBL9094088 0.71 SLC5A2 (0.40) SLC5A2SLC5A1
SCHEMBL8576401 0.71 SLC5A2 (0.40) SLC5A2SLC5A1
SCHEMBL8731248 0.71 SLC5A2 (0.40) SLC5A2SLC5A1
SCHEMBL8769351 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984974-A1 GLYCOCONJUGATES OF OPIATED SUBSTANCES ROLABO S.L. (ES) 2000-03-15 EP disclosed
WO-1998054196-A1 GLYCOCONJUGATES OF OPIATED SUBSTANCES ROLABO SL (ES) 1998-12-03 WO disclosed